tert-butyl 2-[(diphenylmethyl)amino]acetate

• ChemBase ID: 161224
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: c1(C(NCC(=O)OC(C)(C)C)c2ccccc2)ccccc1
• Canonical SMILES: O=C(OC(C)(C)C)CNC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,20H,14H2,1-3H3
• InChIKey: ZWWNPSADOUWQRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-[(diphenylmethyl)amino]acetate
• IUPAC Traditional name: tert-butyl 2-[(diphenylmethyl)amino]acetate
• Synonyms: tert-Butyl(diphenylmethylamino)ethanoate; N-(Diphenylmethyl)glycine 1,1-Dimethylethyl Ester; Benzhydrylaminoacetic Acid tert-Butyl Ester

Database IDs

• CAS Number: 158980-46-2
• PubChem SID: 162255359
• PubChem CID: 11087797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.755299
• LogD (pH = 7.4): 3.98969
• Log P: 3.993672
• Molar Refractivity: 88.2481 cm^3
• Polarizability: 35.126896 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Light Brown Crystalline Solid
• Melting Point: 75.5-76.5°C

DETAILS

Toronto Research Chemicals - B193925

A useful intermediate in the synthesis of 2-Azetidinones.